Solubility, thermodynamic properties, HSP, and molecular interactions of vitamin K3 in pure solvents

Due to the lack of solubility data and thermodynamic parameters of vitamin K 3 in literature, we determined the solubility of vitamin K 3 in ten organic solvents including 1,2-dichloroethane, acetone, dichloromethane , cyclohexane , methanol, acetonitrile , methyl acetate , i-propanol, n-propanol and n-butanol in this research. It was found that the solubility of vitamin K 3 increases with the increasing temperature ranging from 278.15 to 313.15 K in all ten solvents. Four thermodynamic models regression illustrate that modified Apelblat is the most appropriate model to describe solubility of vitamin K 3 in these ten solvents; it provides 100 RAD value of 1.48 as well as 10 4 RMSD value of 5.94. To explain the change patterns of vitamin K 3 solubility in ten solvents, Hansen solubility parameters and DFT calculation were both applied. Outcomes indicate the solubility laws of vitamin K 3 not only depend on polarity and hydrogen bonded parameters but also rely on intermolecular interactions . On account of these, 1,2-dichloroethane and dichloromethane with stronger solute-solvent interactions show greater solubility than other solvents. Thermodynamic studies reveal that the dissolution of vitamin K 3 in these ten solvents is an entropy-driven and endothermic process.